sodium 3-(4-bromanyl-2,5-dimethoxy-phenyl)oxirane-2-carboxylate

Systemtic Name: sodium 3-(4-bromanyl-2,5-dimethoxy-phenyl)oxirane-2-carboxylate Openeye Name: sodium 3-(4-bromo-2,5-dimethoxy-phenyl)oxirane-2-carboxylate CAS Name: sodium 3-(4-bromo-2,5-dimethoxyphenyl)-2-oxiranecarboxylate IUPAC Name: sodium 3-(4-bromo-2,5-dimethoxyphenyl)oxirane-2-carboxylate Traditional Name: sodium 3-(4-bromo-2,5-dimethoxy-phenyl)oxirane-2-carboxylate Formula: C11H10BrNaO5 MolecularWeight: 325.08787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2C(O2)C(=O)[O-])OC)Br.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1C2C(O2)C(=O)[O-])OC)Br.[Na+]

InChI

InChI=1S/C11H11BrO5.Na/c1-15-7-4-6(12)8(16-2)3-5(7)9-10(17-9)11(13)14;/h3-4,9-10H,1-2H3,(H,13,14);/q;+1/p-1